Time-dependent density-functional theory for ultrafast interband excitations
Abstract
We formulate a time-dependent density functional theory (TDDFT) in terms of the density matrix to study ultrafast phenomena in semiconductor structures. A system of equations for the density matrix components, which is equivalent to the time-dependent Kohn-Sham equation, is derived. From this we obtain a TDDFT version of the semiconductor Bloch equations, where the electronic many-body effects are taken into account in principle exactly. As an example, we study the optical response of a three-dimensional two-band insulator to an external short-time pulsed laser field. We show that the optical absorption spectrum acquires excitonic features when the exchange-correlation potential contains a Coulomb singularity. A qualitative comparison of the TDDFT optical absorption spectra with the corresponding results obtained within the Hartree-Fock approximation is made.
Keywords
Cite
@article{arxiv.0709.3037,
title = {Time-dependent density-functional theory for ultrafast interband excitations},
author = {V. Turkowski and C. A. Ullrich},
journal= {arXiv preprint arXiv:0709.3037},
year = {2009}
}